Chemical Properties of Succinic acid, dec-2-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C17H28BrF3O4/c1-3-4-5-6-7-8-9-13(2)24-15(22)10-11-16(23)25-14(12-18)17(19,20)21/h13-14H,3-12H2,1-2H3

InChI Key

KQNBOZGQZUYGOF-UHFFFAOYSA-N

Formula

C17H28BrF3O4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)OC(CBr)C(F)(F)F

Molecular Weight¹

433.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-947.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1465.12	kJ/mol	Joback Calculated Property
ΔfusH°	45.42	kJ/mol	Joback Calculated Property
ΔvapH°	73.66	kJ/mol	Joback Calculated Property
log10WS	-5.98		Crippen Calculated Property
logPoct/wat	5.318		Crippen Calculated Property
McVol	288.080	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2037.00; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Tboil	800.80	K	Joback Calculated Property
Tc	986.25	K	Joback Calculated Property
Tfus	459.66	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[863.27; 939.73]	J/mol×K	[800.80; 986.25]
Cp,gas	863.27	J/mol×K	800.80	Joback Calculated Property
Cp,gas	878.19	J/mol×K	831.71	Joback Calculated Property
Cp,gas	892.19	J/mol×K	862.62	Joback Calculated Property
Cp,gas	905.32	J/mol×K	893.53	Joback Calculated Property
Cp,gas	917.59	J/mol×K	924.44	Joback Calculated Property
Cp,gas	929.05	J/mol×K	955.34	Joback Calculated Property
Cp,gas	939.73	J/mol×K	986.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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